mp_ID
stringlengths
4
10
x
float64
-10.28
17.7
y
float64
-12.01
23.9
z
float64
-8.99
7.96
type
stringclasses
2 values
formula
stringlengths
2
26
n_atoms
int64
1
444
spacegroup
int64
1
230
volume
float64
5.61
20.1k
mp-1220968
-3.934387
-4.275245
-3.734694
other
Na1Nd2Se3
6
71
159.65
mp-1206356
-7.841565
-3.949911
5.952557
other
Y2Ga1Co2
5
71
94.1
mp-1093604
-3.59729
-8.113424
1.487143
other
Tl2Hg1Se1
4
71
1,412.63
mp-1228848
-3.205832
-0.989187
-5.34732
other
Cs2B2S4
8
71
251.71
mp-1246301
1.565311
2.464658
0.927141
other
K2Ir1N2
5
71
107.82
mp-1093657
-2.116916
-8.443923
1.580841
other
Sc1Be1Pt2
4
71
801.44
mp-1207635
-8.19669
-5.674748
3.228263
other
Yb3Cu4Sn4
11
71
234.57
mp-1213336
-8.206345
-6.287904
6.289574
other
Er12Co4Sn2
18
71
436.05
mp-1095876
-3.010643
-8.211691
1.505911
other
Ca1Mg1Zn2
4
71
1,420.04
mp-542593
-7.894835
-3.101874
4.860001
other
Nd4Ge8Ir4
16
71
317.57
mp-1096069
-3.616842
-7.682859
1.726436
other
Ba2Na1In1
4
71
2,140.05
mp-645166
-7.506696
0.060981
4.791757
other
Tb1Ga6Fe6
13
71
184.4
mp-1097312
-1.952699
-8.483995
2.122662
other
Zr2Tc1Ir1
4
71
819.41
mp-1095784
-2.790013
-8.226546
1.563291
other
Li1Al1Zn2
4
71
851.08
mp-1097183
-2.875503
-8.556417
1.408238
other
Li1Pb1Au2
4
71
1,074.61
mp-1096614
-1.575648
-8.157249
2.309673
other
Ta2Re1Tc1
4
71
811.76
mp-1096480
-1.853649
-8.450563
2.14789
other
Zr2Fe1Os1
4
71
822.31
mp-1096479
-2.735643
-8.543375
1.306147
other
Mg1Ag1Au2
4
71
925.72
mp-1216254
-7.992642
-0.438872
4.375737
other
Y1Mn6Co6
13
71
159.19
mp-1221887
11.070757
12.221733
0.12572
other
Mn4Cd2O6
12
71
146.25
mp-1212871
-7.993464
-1.269078
4.398839
other
Er1Ga6Co6
13
71
178.22
mp-1097345
-1.702758
-8.518353
2.025474
other
Mn1V1Os2
4
71
674.55
mp-1097479
-2.928916
-8.285984
1.70121
other
Ca1Y1Zn2
4
71
1,285.9
mp-1093855
-3.181711
-8.169341
1.654328
other
Ca2Mg1Cd1
4
71
1,610.91
mp-1092328
-2.472683
0.418725
2.381545
other
Sc3Ir1C4
8
71
93.74
mp-1097560
-1.86359
-8.486582
1.92196
other
Al2Os1Ru1
4
71
911.77
mp-1097489
-3.509502
-7.943045
1.528129
other
Ba1Na2Pb1
4
71
2,301.15
mp-1096096
-1.960929
-8.271008
2.015736
other
Mn2Nb1V1
4
71
706.53
mp-1093632
-3.11008
-8.190978
1.830982
other
Na1Y2Pb1
4
71
1,551.22
mp-1096221
-2.636301
-8.497953
1.738127
other
Y1Hf1Au2
4
71
1,061.32
mp-643614
-7.570839
-2.675246
2.714286
other
Nd3Mn18Sn18
39
71
710.37
mp-1068489
-7.905985
-5.411455
5.13032
other
Pr2Ni2Sn1
5
71
108.78
mp-1097603
-3.482164
-7.636014
1.939763
other
Ba2Mg1Zn1
4
71
1,736.02
mp-1093924
-2.95219
-8.450236
1.431778
other
In2Sn1Pb1
4
71
1,643
mp-1095990
-3.572239
-7.73958
1.840717
other
Ba2Na1Li1
4
71
2,482.19
mp-1070755
-8.0659
-5.056289
5.818512
other
Y2Ga1Ni2
5
71
91.71
mp-1216345
-7.663234
-4.218109
3.91051
other
U2Al2Au2
6
71
117.54
mp-1093926
-2.051921
-8.54364
1.523332
other
Be1Ga1Pt2
4
71
670.86
mp-1097239
-1.942472
-8.519423
1.882122
other
Be2Ni1Ru1
4
71
399.14
mp-1096256
-2.304856
-8.439889
1.69077
other
Sc2Pd1Rh1
4
71
836.57
mp-1097622
-1.619162
-8.183011
2.328068
other
Ti2Nb1Al1
4
71
770.53
mp-1096183
-2.045672
-8.472104
1.956481
other
Zr2Ir1Rh1
4
71
798.5
mp-1222375
-6.96522
-1.354236
5.275767
other
Lu1Mn6Al6
13
71
185.17
mp-1189081
-8.12395
-6.344355
6.45438
other
Ho12Ni4Sn2
18
71
448.82
mp-1093647
-2.308337
-8.39394
1.531858
other
Mg1Zn1Ni2
4
71
623.72
mp-1093728
-3.514819
-7.739199
1.766852
other
Ba2Li1In1
4
71
1,691.83
mp-1096672
-2.78677
-8.373168
1.71105
other
Sc2Ag1Pb1
4
71
1,312.38
mp-1097580
-3.125299
-8.241242
1.427823
other
Li2Tl1Sb1
4
71
1,109.57
mp-572767
8.520197
1.031362
-0.008875
other
Cs2Au2F8
12
71
224.56
mp-1096606
-1.475109
-8.294145
2.367655
other
Nb2Tc1W1
4
71
789.84
mp-1220554
-8.171362
-0.447513
4.386394
other
Nd1Ti2Co10
13
71
168.94
mp-1399262
8.866314
1.900311
1.637179
other
Y1Ti1F5
7
71
122.9
mp-1093629
-2.080591
-8.277851
1.874612
other
Mn1Al2Fe1
4
71
852.28
mp-1096598
-1.755718
-8.209774
1.996849
other
Li1Ti2Ir1
4
71
851.74
mp-1093557
-2.789856
-8.441468
1.520269
other
Y1Zn1Ag2
4
71
1,232.62
mp-574021
-7.770319
-4.801629
5.051009
other
Ce2Zn1Ni2
5
71
93.64
mp-1096597
-2.738689
-8.42909
1.387699
other
Mg2Cd1Au1
4
71
1,105.18
mp-1095911
-2.722718
-8.301317
1.716903
other
Y1Sc1In2
4
71
1,243.2
mp-1097653
-1.619675
-8.704542
1.930367
other
Cr1Ga1Ru2
4
71
610.2
mp-1097500
-3.20555
-8.669518
1.225216
other
Li1Ga1Hg2
4
71
956.4
mp-1097601
-2.387617
-8.388885
1.581772
other
Ga1Cu1Ni2
4
71
529.22
mp-1093760
-4.112883
-7.083559
1.528631
other
K2Rb1Bi1
4
71
2,469.92
mp-1096572
-2.201908
-8.359982
1.693022
other
Sc2Ir1Pt1
4
71
855.19
mp-1206462
-7.873214
-5.106557
6.001524
other
Sm2Al1Ni2
5
71
96.85
mp-1248522
-1.864811
-8.305411
2.189435
other
Hf2Al1Re1
4
71
853.73
mp-1096509
-2.126377
-8.376797
1.875518
other
Sc2Tc1Rh1
4
71
868.29
mp-555679
9.086398
2.000716
1.937638
other
Na2U1F6
9
71
122.81
mp-1093663
-3.066057
-8.151037
1.623756
other
Li1Ca2Pd1
4
71
1,227.16
mp-1097127
-2.737206
-8.428905
1.295959
other
Na1Bi1Pd2
4
71
988.28
mp-1025464
-2.535725
0.529028
2.423275
other
Sc3Ni1C4
8
71
89.33
mp-752798
10.018461
8.810772
3.26029
other
Ce1Th2O6
9
71
128.2
mp-1097493
-1.582555
-8.364978
2.211794
other
Al1Tc2Mo1
4
71
746.67
mp-1096522
-2.480392
-8.408467
1.816337
other
Y2Cd1Ru1
4
71
1,318.07
mp-1096604
-2.808249
-8.304274
1.406194
other
Mg2Zn1Cd1
4
71
1,103.03
mp-1226227
-5.079593
0.699075
3.197337
other
Cr1B4Mo1
6
71
49.64
mp-1104593
-8.243141
-3.980786
4.937235
other
Tb3Ga8Rh3
14
71
258.79
mp-1093920
-1.910006
-8.403913
1.904709
other
Tc2Ge1Sb1
4
71
858.77
mp-1096527
-2.669257
-8.388949
1.814532
other
La1Y1Cu2
4
71
1,027.79
mp-8249
-2.231238
-0.389993
-5.383057
other
Tl2P2S6
10
71
255.24
mp-1096395
-2.947913
-8.435727
1.459632
other
Li1Mg1Pb2
4
71
1,186.66
mp-1096361
-2.320025
-8.287129
1.995466
other
Mn1Si2Tc1
4
71
667.89
mp-1093866
-1.773138
-8.146239
2.240336
other
Ta2Re1Pd1
4
71
791.3
mp-1097113
-2.199328
-8.483334
1.75022
other
Be2Cu1Pd1
4
71
519.37
mp-1096593
-3.033427
-8.651345
1.556804
other
La1Y1Hg2
4
71
1,401.46
mp-1096662
-2.101569
-8.576976
1.483364
other
Be1Zn1Pt2
4
71
697.79
mp-1093964
-1.623689
-8.242173
2.22574
other
Ti2Zn1Mo1
4
71
818.18
mp-1097217
-2.873803
-8.258492
1.845919
other
Y2Al1Tl1
4
71
1,457.44
mp-1095900
-2.713982
-8.561804
1.249057
other
Zn1Ag1Au2
4
71
895.66
mp-1093729
-2.49842
-8.497603
1.635902
other
Hf1Pt1Au2
4
71
947.07
mp-1225098
-6.502683
-1.546347
5.159142
other
Er1Al6Cr6
13
71
192.8
mp-1215723
-6.957131
0.068114
4.930353
other
Zr1Al6Fe6
13
71
177.88
mp-1096280
-1.785374
-8.139503
2.18565
other
Ta2Mn1Cr1
4
71
730.04
mp-1095976
-2.625521
-8.274214
1.542265
other
Mg2Ga1Cu1
4
71
792.75
mp-1097376
-3.658257
-7.81486
2.347972
other
Ba2Sr1Ca1
4
71
2,736.65
mp-1097250
-2.850969
-8.646767
1.402375
other
Hf1Mg1Hg2
4
71
1,162.39
mp-1097194
-3.433063
-8.213569
1.692356
other
Na1Sr2Cd1
4
71
1,983.37
mp-1097604
-2.022165
-8.397525
1.77442
other
Zr1Ge1Rh2
4
71
787.09
mp-1096295
-1.799881
-8.409774
2.123382
other
V1Cr2Mo1
4
71
790.75
mp-1095859
-3.585578
-7.641882
1.766549
other
Ba2Al1Tl1
4
71
1,878.19
mp-1097549
-2.520183
-8.319461
1.759665
other
Sc2Co1Cu1
4
71
716.01